3,4-diethylheptane;ethane

C17H42 — CID 144734225

IUPAC3,4-diethylheptane;ethane
SMILESCC.CC.CC.CCCC(CC)C(CC)CC
InChIInChI=1S/C11H24.3C2H6/c1-5-9-11(8-4)10(6-2)7-3;3*1-2/h10-11H,5-9H2,1-4H3;3*1-2H3
InChIKeyDISOJNNYBCPXGX-UHFFFAOYSA-N
MW246.52 g/mol
LogP7.33
Rot. Bonds6

About 3,4-diethylheptane;ethane

3,4-diethylheptane;ethane (PubChem CID 144734225) has the molecular formula C17H42 and a molecular weight of 246.52 g/mol. Its IUPAC name is 3,4-diethylheptane;ethane.

Molecular Properties

Compound Name3,4-diethylheptane;ethane
PubChem CID144734225
Molecular FormulaC17H42
Molecular Weight246.52 g/mol
Exact Mass246.33
IUPAC Name3,4-diethylheptane;ethane
SMILESCC.CC.CC.CCCC(CC)C(CC)CC
InChIInChI=1S/C11H24.3C2H6/c1-5-9-11(8-4)10(6-2)7-3;3*1-2/h10-11H,5-9H2,1-4H3;3*1-2H3
InChIKeyDISOJNNYBCPXGX-UHFFFAOYSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.52
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tris(3,4-diethylheptane);methane
CID 160558798
4,5-diethyloctane
CID 519254
3,4-diethylhexane;ethane
CID 178112158
4,5-diethylnonane
CID 21188862
5-ethyl-4,9,10-tripropyltridecane
CID 21351361
4,5,6,7-tetraethyldecane
CID 101052128
(3R)-3-ethyl-2-methylhexane
CID 59954424
ethane;4-ethyl-2,3-dimethylheptane
CID 142330758
7-ethyl-6-propyltridecane
CID 530352
3-ethyl-2-methylhexan-1-amine
CID 91121737
6-ethyl-2,5-dimethylnonane
CID 54499682
3,4,5-triethyloctane
CID 57492611

Frequently Asked Questions

What is the IUPAC name of 3,4-diethylheptane;ethane?
The IUPAC name of 3,4-diethylheptane;ethane (CID 144734225) is 3,4-diethylheptane;ethane.
What is the SMILES notation for 3,4-diethylheptane;ethane?
The canonical SMILES for 3,4-diethylheptane;ethane is CC.CC.CC.CCCC(CC)C(CC)CC.
What is the InChIKey of 3,4-diethylheptane;ethane?
The InChIKey is DISOJNNYBCPXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24.3C2H6/c1-5-9-11(8-4)10(6-2)7-3;3*1-2/h10-11H,5-9H2,1-4H3;3*1-2H3.
What are the key properties of 3,4-diethylheptane;ethane?
3,4-diethylheptane;ethane has a molecular weight of 246.52 g/mol, XLogP of 7.33, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethylheptane;ethane is sourced from PubChem (CID 144734225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).